N-(2,3-Dibromo-4,5-dihydroxybenzyl)-N'-(3-methoxycarbonylpropyl)urea
AlkaPlorer ID: AK007590
Synonym: Methyl N'-(2,3-dibromo-4,5-dihydroxybenzyl) γ-ureidobutyrate
IUPAC Name: methyl 4-[(2,3-dibromo-4,5-dihydroxyphenyl)methylcarbamoylamino]butanoate
Structure
SMILES: COC(=O)CCCN=C(O)NCC1=CC(O)=C(O)C(Br)=C1Br
InChI: InChI=1S/C13H16Br2N2O5/c1-22-9(19)3-2-4-16-13(21)17-6-7-5-8(18)12(20)11(15)10(7)14/h5,18,20H,2-4,6H2,1H3,(H2,16,17,21)
InChIKey: LYBIWQWLDSLCDP-UHFFFAOYSA-N
Reference
PubChem CID: 11711857
LOTUS: LTS0105403
SuperNatural Ⅲ: SN0218547
NPASS: NPC191557
COCONUT: CNP0152589
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodomela confervoides | Rhodomela | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 440.0880000000001
TPSA？: 111.38
MolLogP？: 2.5796
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 10.0 | ug.mL-1 | 10.1021/np050343g |
| Homo sapiens | A549 | IC50 | 10.0 | ug.mL-1 | 10.1021/np050343g |
| Homo sapiens | Bel-7402 | IC50 | 10.0 | ug.mL-1 | 10.1021/np050343g |
| Homo sapiens | BGC-823 | IC50 | 10.0 | ug.mL-1 | 10.1021/np050343g |
| Homo sapiens | HCT-8 | IC50 | 10.0 | ug.mL-1 | 10.1021/np050343g |